CHEBI:58487 - 2'-deoxymugineate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2'-deoxymugineate
ChEBI ID CHEBI:58487
Definition Conjugate base of 2'-deoxymugineic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H19N2O7
Net Charge -1
Average Mass 303.28850
Monoisotopic Mass 303.11977
InChI InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t7-,8-,9-/m0/s1
InChIKey CUZKLRTTYZOCSD-CIUDSAMLSA-M
SMILES O[C@@H](CC[NH2+][C@@H](CC[NH+]1CC[C@H]1C([O-])=O)C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing 2'-deoxymugineate (CHEBI:58487) is a amino acid zwitterion (CHEBI:35238)
2'-deoxymugineate (CHEBI:58487) is a tricarboxylic acid trianion (CHEBI:27092)
2'-deoxymugineate (CHEBI:58487) is conjugate base of 2'-deoxymugineic acid (CHEBI:19274)
Incoming 2'-deoxymugineic acid (CHEBI:19274) is conjugate acid of 2'-deoxymugineate (CHEBI:58487)
IUPAC Name
(2S)-1-[(3S)-3-carboxylato-3-{[(3S)-3-carboxylato-3-hydroxypropyl]ammonio}propyl]azetidinium-2-carboxylate
Synonym Source
2'-deoxymugineate UniProt
Last Modified
16 May 2014